methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate

C12H21N5O2 — CID 102808721

IUPACmethyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
SMILESCCCn1nc(N2CCNCC2)c(C(=O)OC)c1N
InChIInChI=1S/C12H21N5O2/c1-3-6-17-10(13)9(12(18)19-2)11(15-17)16-7-4-14-5-8-16/h14H,3-8,13H2,1-2H3
InChIKeyMRPHLMOGYNBLQF-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.07
Rot. Bonds4

About methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate

methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate (PubChem CID 102808721) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
PubChem CID102808721
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Namemethyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
SMILESCCCn1nc(N2CCNCC2)c(C(=O)OC)c1N
InChIInChI=1S/C12H21N5O2/c1-3-6-17-10(13)9(12(18)19-2)11(15-17)16-7-4-14-5-8-16/h14H,3-8,13H2,1-2H3
InChIKeyMRPHLMOGYNBLQF-UHFFFAOYSA-N
XLogP0.07
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate
CID 102808709
methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
CID 102808706
methyl 5-amino-3-piperazin-1-yl-1,2-oxazole-4-carboxylate
CID 102808521
methyl 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate
CID 102808461
methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride
CID 90674683
methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
CID 165475313
methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate
CID 102808410
methyl 5-amino-1-ethyl-3-(piperidin-4-ylamino)pyrazole-4-carboxylate
CID 102808675
5-amino-1-(2-ethylsulfonylethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
CID 102796697
5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
CID 102795336
methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 165485668
methyl 5-acetyl-4-amino-2-piperazin-1-ylthiophene-3-carboxylate
CID 103524937

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate (CID 102808721) is methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate is CCCn1nc(N2CCNCC2)c(C(=O)OC)c1N.
What is the InChIKey of methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate?
The InChIKey is MRPHLMOGYNBLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-6-17-10(13)9(12(18)19-2)11(15-17)16-7-4-14-5-8-16/h14H,3-8,13H2,1-2H3.
What are the key properties of methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate?
methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate is sourced from PubChem (CID 102808721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).